Basic information
- Standard SMILES
CSc1ccc(Cc2ccccc2O)cc1- InChIKey
IHAZHKZEKSIOBG-UHFFFAOYSA-N- Molecular formula
- C14H14OS
- Average molar mass
- 230.33 g/mol
Names & identifiers
- Preferred name
- 2-(4-Methylsulfanylbenzyl)phenol
- IUPAC
- 2-[(4-methylsulfanylphenyl)methyl]phenol
Names & synonyms
SCHEMBL25753362-(4-Methylsulfanylbenzyl)phenolIHAZHKZEKSIOBG-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 67458642
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 199
Related reactions
2 records
Compound notes
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